End-capped modification of dithienosilole based small donor molecules for high performance organic solar cells using DFT approach
Mahira Rafiq, Maham Salim, Safia Noreen, Rasheed Ahmad Khera, Sadia Noor, Umer Yaqoob, Javed Iqbal
Topics & Concepts
HOMO/LUMOOrganic solar cellDensity functional theoryAbsorption (acoustics)AcceptorMarcus theoryChemical physicsMoleculeChemistryAbsorption spectroscopyEnergy conversion efficiencyBand gapMaterials scienceComputational chemistryOptoelectronicsOrganic chemistryPolymerPhysicsQuantum mechanicsKineticsReaction rate constantComposite materialCondensed matter physicsOrganic Electronics and PhotovoltaicsConducting polymers and applicationsPerovskite Materials and Applications